(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone

C13H14N4OS — CID 53141249

IUPAC(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESNc1c(-c2ccccn2)nsc1C(=O)N1CCCC1
InChIInChI=1S/C13H14N4OS/c14-10-11(9-5-1-2-6-15-9)16-19-12(10)13(18)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8,14H2
InChIKeyDDCZSTODOGRMKA-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.02
Rot. Bonds2

About (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone

(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 53141249) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID53141249
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESNc1c(-c2ccccn2)nsc1C(=O)N1CCCC1
InChIInChI=1S/C13H14N4OS/c14-10-11(9-5-1-2-6-15-9)16-19-12(10)13(18)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8,14H2
InChIKeyDDCZSTODOGRMKA-UHFFFAOYSA-N
XLogP2.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 53141252
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53141256
N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide
CID 53141318
4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141228
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138
(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 53141383
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 59338745
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
(7-amino-3-quinolin-6-ylthieno[2,3-b]pyrazin-6-yl)-piperidin-1-ylmethanone
CID 176733462
N-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 142032536

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone (CID 53141249) is (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone is Nc1c(-c2ccccn2)nsc1C(=O)N1CCCC1.
What is the InChIKey of (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is DDCZSTODOGRMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-10-11(9-5-1-2-6-15-9)16-19-12(10)13(18)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8,14H2.
What are the key properties of (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone?
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 274.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53141249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).